SCHEMBL1098537

SCHEMBL1098537

CC(C)(C)OC(=O)N(c1ccc(N)nc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GPR119 Q8TDV5 8/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28682929 0.84 GPR119 (0.37) MEN1KMT2AGPR119CNR2
SCHEMBL29179669 0.83 ALOX5AP (0.40) ALOX5APFEN1MEN1KMT2AUCHL1
SCHEMBL29179670 0.83 ALOX5AP (0.40) ALOX5APFEN1MEN1KMT2AUCHL1
SCHEMBL30218114 0.83 ALOX5AP (0.47) ALOX5APFEN1MEN1KMT2AGPR119
SCHEMBL30218474 0.83 ALOX5AP (0.47) ALOX5APFEN1MEN1KMT2AGPR119
SCHEMBL29119904 0.83 ALOX5AP (0.47) ALOX5APFEN1MEN1KMT2AGPR119
SCHEMBL29119906 0.83 ALOX5AP (0.47) ALOX5APFEN1MEN1KMT2AGPR119
SCHEMBL3931511 0.82 MEN1 (0.41) MEN1KMT2AGPR119
SCHEMBL1098848 0.80 MAPT (0.36) MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL1097834 0.79 PAX8 (0.44) MEN1KMT2AGABRPGABRDGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 ALOX5AP 4627/4885FEN1 3969/4885MEN1 763/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 ALOX5AP 4515/4885FEN1 3791/4885MEN1 662/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 ALOX5AP 4482/4885FEN1 3745/4885MEN1 572/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.